2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol

C10H20N4O — CID 114496898

IUPAC2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol
SMILESCNCc1cn(CC(C)(O)C(C)C)nn1
InChIInChI=1S/C10H20N4O/c1-8(2)10(3,15)7-14-6-9(5-11-4)12-13-14/h6,8,11,15H,5,7H2,1-4H3
InChIKeyYYLRCMLGCFKNBW-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.40
Rot. Bonds5

About 2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol

2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol (PubChem CID 114496898) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol
PubChem CID114496898
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol
SMILESCNCc1cn(CC(C)(O)C(C)C)nn1
InChIInChI=1S/C10H20N4O/c1-8(2)10(3,15)7-14-6-9(5-11-4)12-13-14/h6,8,11,15H,5,7H2,1-4H3
InChIKeyYYLRCMLGCFKNBW-UHFFFAOYSA-N
XLogP0.40
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol
CID 114496914
1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol
CID 66214034
1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol
CID 114497656
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 66193662
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol
CID 66193423
N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine
CID 115519644
2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 66194455
2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol
CID 114099502
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
CID 66215241
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine
CID 66192704

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol (CID 114496898) is 2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol is CNCc1cn(CC(C)(O)C(C)C)nn1.
What is the InChIKey of 2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol?
The InChIKey is YYLRCMLGCFKNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8(2)10(3,15)7-14-6-9(5-11-4)12-13-14/h6,8,11,15H,5,7H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol?
2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol has a molecular weight of 212.30 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol is sourced from PubChem (CID 114496898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).